Geometry & MOs

Info

ID:	188725
PubChem CID:	77759555
Reduced:	NaSN3O6C16H17 (1)
Stoich.:	ABC3D6E16F17 (1)
Weight, g/mol:	379.083806
ΔH_f, kcal/mol:	-258.31
Dipole, Da:	5.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.087778
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetamido-3-phenylprop-2-enoyl)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid

Drug info:

PubChemData

Smile

CC(=O)NC(=CC(=O)N1CCC2C1C(=O)N2S(=O)(=O)O)C3=CC=CC=C3.[Na]

DOS

IR

Vibrations